Structure Database (LMSD)
Common Name
(Z)-5-(heptadec-12-en-1-yl)resorcinol
Systematic Name
(Z)-5-(heptadec-12-en-1-yl)benzene-1,3-diol
Synonyms
3D model of (Z)-5-(heptadec-12-en-1-yl)resorcinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KDUIMXINOLVPCT-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,18-20,24-25H,2-4,7-17H2,1H3/b6-5-
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCC/C=C\CCCC)C=C(O)C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
1
Rotatable Bonds
15
Van der Waals Molecular Volume
390.22
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.29
Molar Refractivity
108.31
Admin
Created at
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Updated at
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